methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate

C19H19NO3 — CID 71187027

IUPACmethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12
InChIInChI=1S/C19H19NO3/c1-13-8-17-16(15(11-20-17)9-19(21)22-2)10-18(13)23-12-14-6-4-3-5-7-14/h3-8,10-11,20H,9,12H2,1-2H3
InChIKeyNWCDYOBQXXTQRZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.77
Rot. Bonds5

About methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate

methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate (PubChem CID 71187027) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
PubChem CID71187027
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12
InChIInChI=1S/C19H19NO3/c1-13-8-17-16(15(11-20-17)9-19(21)22-2)10-18(13)23-12-14-6-4-3-5-7-14/h3-8,10-11,20H,9,12H2,1-2H3
InChIKeyNWCDYOBQXXTQRZ-UHFFFAOYSA-N
XLogP3.77
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 135215758
methyl 2-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-6-methyl-1H-indol-3-yl]acetate
CID 118357857
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
methyl 2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetate
CID 51038992
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
methyl 2-[2-[(4-bromo-1H-indol-6-yl)methoxy]phenyl]acetate
CID 153350533
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
CID 166042268

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate (CID 71187027) is methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate is COC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12.
What is the InChIKey of methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The InChIKey is NWCDYOBQXXTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-8-17-16(15(11-20-17)9-19(21)22-2)10-18(13)23-12-14-6-4-3-5-7-14/h3-8,10-11,20H,9,12H2,1-2H3.
What are the key properties of methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate has a molecular weight of 309.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 71187027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).